D0X6KS -OEChem-10101305022D 41 44 0 0 0 0 0 0 0999 V2000 2.0000 1.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -4.3577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -3.5530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.7977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -4.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4616 -1.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -1.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 31 1 0 0 0 0 3 10 2 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 4 34 1 0 0 0 0 5 10 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 15 2 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$